CID 9210

Quinazoline

Structural Information

Molecular Formula

C₈H₆N₂

SMILES

C1=CC=C2C(=C1)C=NC=N2

InChI

InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H

InChIKey

JWVCLYRUEFBMGU-UHFFFAOYSA-N

Compound name

quinazoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20180
References: 91373
Patents: 130.0531 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.06038	123.1
[M+Na]+	153.04232	138.9
[M+NH4]+	148.08692	133.2
[M+K]+	169.01626	130.9
[M-H]-	129.04582	126.0
[M+Na-2H]-	151.02777	132.9
[M]+	130.05255	126.3
[M]-	130.05365	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe